BDBM50531416 CHEMBL4451942

SMILES Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12

InChI Key InChIKey=SHIWQBRKEVPYAV-UHFFFAOYSA-N

Data  7 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50531416   

TargetCytochrome P450 1A2(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 180nMAssay Description:Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins followed by substrate addition measured after 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 8.30E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate after 15 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50531416(CHEMBL4451942)
Affinity DataIC50: 180nMAssay Description:Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed